1-[4-(hexylamino)piperidin-1-yl]ethanone

C13H26N2O — CID 43222793

IUPAC1-[4-(hexylamino)piperidin-1-yl]ethanone
SMILESCCCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13-7-10-15(11-8-13)12(2)16/h13-14H,3-11H2,1-2H3
InChIKeyZFABDEJFABWVTG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds6

About 1-[4-(hexylamino)piperidin-1-yl]ethanone

1-[4-(hexylamino)piperidin-1-yl]ethanone (PubChem CID 43222793) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(hexylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hexylamino)piperidin-1-yl]ethanone
PubChem CID43222793
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(hexylamino)piperidin-1-yl]ethanone
SMILESCCCCCCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13-7-10-15(11-8-13)12(2)16/h13-14H,3-11H2,1-2H3
InChIKeyZFABDEJFABWVTG-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(hexylamino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hexylamino)piperidine-1-carboxamide
CID 43769692
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
3-[(1-acetylpiperidin-4-yl)amino]propanamide
CID 43224982
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
1-[4-[2-(diethylamino)ethylamino]piperidin-1-yl]ethanone
CID 43222555
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hexylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(hexylamino)piperidin-1-yl]ethanone (CID 43222793) is 1-[4-(hexylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(hexylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(hexylamino)piperidin-1-yl]ethanone is CCCCCCNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(hexylamino)piperidin-1-yl]ethanone?
The InChIKey is ZFABDEJFABWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-6-9-14-13-7-10-15(11-8-13)12(2)16/h13-14H,3-11H2,1-2H3.
What are the key properties of 1-[4-(hexylamino)piperidin-1-yl]ethanone?
1-[4-(hexylamino)piperidin-1-yl]ethanone has a molecular weight of 226.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hexylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43222793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).